| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:07 UTC |
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| Update Date | 2025-03-21 18:01:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034023 |
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| Frequency | 106.1 |
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| Structure | |
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| Chemical Formula | C17H25NO4 |
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| Molecular Mass | 307.1784 |
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| SMILES | CC1C(Oc2ccc(CCN)cc2)OC(C(=O)O)C(C)C1C |
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| InChI Key | XFWKOLJTEAVPAG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativeorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxanepyran carboxylic acid or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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